CID 3118668

4-chloro-2-nitro-n-propylbenzamide

Structural Information

Molecular Formula
C10H11ClN2O3
SMILES
CCCNC(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H11ClN2O3/c1-2-5-12-10(14)8-4-3-7(11)6-9(8)13(15)16/h3-4,6H,2,5H2,1H3,(H,12,14)
InChIKey
GGCSULIHUASPSP-UHFFFAOYSA-N
Compound name
4-chloro-2-nitro-N-propylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.04582 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.053096 150.8
[M+Na]+ 265.035038 158.0
[M-H]- 241.038544 154.4
[M+NH4]+ 260.079643 168.2
[M+K]+ 281.008978 150.7
[M+H-H2O]+ 225.043080 150.3
[M+HCOO]- 287.044021 172.1
[M+CH3COO]- 301.059671 187.6
[M+Na-2H]- 263.020486 156.4
[M]+ 242.04527142 152.0
[M]- 242.04636858 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.